Information card for entry 4519052

Structure parameters

• Formula: C51 H61 Al2 Cl3 N4 O16 Rb2
• Calculated formula: C51 H61 Al2 Cl3 N4 O16 Rb2
• SMILES: [Rb]12345[O]6[Al]789(OC(=[O][Rb]%10%11%12%13%14([O]%15[Al]%16%17([O]%10c%10c([O]%11C)cccc%10C=[N]%16CC(C)(C[N]%17=Cc%10c%15c([O]%12C)ccc%10)C)([O]=C([O]3%13)C)OC(=O)C)[O]2(c2c6c(C=[N]8CC(C)(C)C[N]9=Cc3c([O]17)c([O]4%14C)ccc3)ccc2)C)C)OC(=[O]5)C.ClC(Cl)Cl
• Title of publication: Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
• Authors of publication: Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 12532 - 12542
• a: 12.546 ± 0.0003 Å
• b: 15.7343 ± 0.0004 Å
• c: 16.4513 ± 0.0005 Å
• α: 64.372 ± 0.003°
• β: 82.396 ± 0.002°
• γ: 76.638 ± 0.002°
• Cell volume: 2846.84 ± 0.15 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No